4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C19H19FN4O2 — CID 112877885

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C19H19FN4O2/c1-12-21-18(23-14-6-4-13(20)5-7-14)11-19(22-12)24-16-10-15(25-2)8-9-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyODRZVFKVJURNBB-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.43
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877885) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877885
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C19H19FN4O2/c1-12-21-18(23-14-6-4-13(20)5-7-14)11-19(22-12)24-16-10-15(25-2)8-9-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyODRZVFKVJURNBB-UHFFFAOYSA-N
XLogP4.43
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877874
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872394
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877885) is 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(Nc3ccc(F)cc3)nc(C)n2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is ODRZVFKVJURNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-21-18(23-14-6-4-13(20)5-7-14)11-19(22-12)24-16-10-15(25-2)8-9-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 354.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).